(2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

C11H11FN2O3 — CID 163204090

IUPAC(2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESN[C@H]1C[C@@H](C(=O)O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H11FN2O3/c12-6-1-3-7(4-2-6)14-9(11(16)17)5-8(13)10(14)15/h1-4,8-9H,5,13H2,(H,16,17)/t8-,9-/m0/s1
InChIKeyWZYOTXOPDAANBU-IUCAKERBSA-N
MW238.22 g/mol
LogP0.34
Rot. Bonds2

About (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

(2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 163204090) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID163204090
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name(2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESN[C@H]1C[C@@H](C(=O)O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H11FN2O3/c12-6-1-3-7(4-2-6)14-9(11(16)17)5-8(13)10(14)15/h1-4,8-9H,5,13H2,(H,16,17)/t8-,9-/m0/s1
InChIKeyWZYOTXOPDAANBU-IUCAKERBSA-N
XLogP0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 163204090) is (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is N[C@H]1C[C@@H](C(=O)O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is WZYOTXOPDAANBU-IUCAKERBSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-6-1-3-7(4-2-6)14-9(11(16)17)5-8(13)10(14)15/h1-4,8-9H,5,13H2,(H,16,17)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
(2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 163204090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).